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BDBM50109694 3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester::CHEMBL147336

SMILES: Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1

InChI Key: InChIKey=DHZFJGMXZNYFJY-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50109694   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair